IFLAB-ZINC04120127 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 51 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3390 -0.4990 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4980 -1.8480 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7720 -2.3970 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9320 -3.7690 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8240 -4.5960 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5530 -4.0510 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3880 -2.6790 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0010 -6.0920 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0730 -6.5830 -1.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9900 -5.7960 -2.3520 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2310 -7.8980 -1.6860 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3180 -8.5160 -3.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 -10.0150 -2.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4850 -10.0770 -1.2370 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3340 -8.8930 -0.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2690 -8.5800 0.9910 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4580 -10.2650 1.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4310 -10.2440 3.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6080 -10.0940 3.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5830 -10.0730 5.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3820 -10.2040 5.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2060 -10.3550 5.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2310 -10.3790 3.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3560 -10.1810 7.3730 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.3930 -10.0480 7.9980 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2980 -10.2960 7.9650 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6390 -1.7520 0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9240 -4.1970 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3120 -4.6980 -0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6050 -2.2540 -0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1550 -6.5600 0.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9220 -6.3510 0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1820 -8.1350 -3.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4010 -8.3460 -3.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4420 -10.3800 -3.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6620 -10.5910 -3.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4080 -10.6770 1.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6400 -10.8850 1.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5460 -9.9920 3.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5020 -9.9550 5.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2680 -10.4560 5.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3120 -10.5010 3.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 25 49 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 M CHG 1 26 1 M CHG 1 28 -1 M END